1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea

C14H28N2O2 — CID 111504730

IUPAC1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCCCC1CCCC1
InChIInChI=1S/C14H28N2O2/c1-12(8-10-17)11-16-14(18)15-9-4-7-13-5-2-3-6-13/h12-13,17H,2-11H2,1H3,(H2,15,16,18)
InChIKeyVBEITCXYOAJTRJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.27
Rot. Bonds8

About 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea

1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111504730) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111504730
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCCCC1CCCC1
InChIInChI=1S/C14H28N2O2/c1-12(8-10-17)11-16-14(18)15-9-4-7-13-5-2-3-6-13/h12-13,17H,2-11H2,1H3,(H2,15,16,18)
InChIKeyVBEITCXYOAJTRJ-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-cyclopentylpropylcarbamoylamino)-2-methylpropanoic acid
CID 114136378
6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid
CID 106005327
(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
2-cyclopentyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66107291
1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111479340
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365
1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506167
1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 55933177
4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol
CID 115725107
1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea
CID 55597562
(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
CID 119724237

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea (CID 111504730) is 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)NCCCC1CCCC1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is VBEITCXYOAJTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(8-10-17)11-16-14(18)15-9-4-7-13-5-2-3-6-13/h12-13,17H,2-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea?
1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 256.39 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111504730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).